CHEBI:83686 - (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol

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ChEBI Name (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol
ChEBI ID CHEBI:83686
Definition A member of the class of pyrimidines that is pyrimidin-5-ylmethanol in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 2-chlorophenyl group while the other is replaced by a 4-chlorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H12Cl2N2O
Net Charge 0
Average Mass 331.19600
Monoisotopic Mass 330.033
InChI InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
InChIKey NHOWDZOIZKMVAI-UHFFFAOYSA-N
SMILES OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl
ChEBI Ontology
Outgoing (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol (CHEBI:83686) is a monochlorobenzenes (CHEBI:83403)
(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol (CHEBI:83686) is a pyrimidines (CHEBI:39447)
(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol (CHEBI:83686) is a tertiary alcohol (CHEBI:26878)
Incoming (R)-fenarimol (CHEBI:83688) is a (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol (CHEBI:83686)
(S)-fenarimol (CHEBI:83689) is a (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol (CHEBI:83686)
IUPAC Name
(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol
Manual Xref Database
291 PPDB
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Last Modified
10 November 2014
General Comment
2014-11-10 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-fenarimol and (S)-fenarimol] and for the racemate (fenarimol).